Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | F10 | P00742 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8266805 | 0.97 | ALDH1A1 (0.48) | CYP1A2CYP2C19CYP2D6ALDH1A1F10 | |
| Acetic Acid SCHEMBL5177298 | 0.86 | F10 (0.45) | ALDH1A1F10MAPTF2NPC1 | |
| SCHEMBL8265544 | 0.83 | F10 (0.43) | ALDH1A1F10MAPTF2TSHR | |
| SCHEMBL8264809 | 0.82 | POLB (0.45) | ALDH1A1F10MAPTF2NPC1 | |
| Acetic Acid SCHEMBL5089036 | 0.82 | F10 (0.46) | ALDH1A1F10MAPTF2PLAU | |
| Acetic Acid SCHEMBL5176109 | 0.80 | F10 (0.47) | F10MAPTF2PLAU | |
| SCHEMBL5900991 | 0.80 | ALDH1A1 (0.47) | CYP1A2CYP2C19CYP2D6ALDH1A1MAPT | |
| Acetic Acid SCHEMBL5178953 | 0.80 | F10 (0.48) | F10MAPTF2PLAU | |
| SCHEMBL8264943 | 0.79 | F10 (0.54) | ALDH1A1F10MAPTF2PLAU | |
| Hydrochloric Acid SCHEMBL5177313 | 0.78 | F10 (0.53) | ALDH1A1F10MAPTF2PLAU |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060116410-A1 | 4-Aminomethyl benzamidine derivatives | HOFFMANN-LA ROCHE INC. | 2006-06-01 | — | — | US | claimed |
| EP-1791810-A1 | 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIA INHIBITORS | F. Hoffmann-Roche AG (CH) | 2007-06-06 | — | — | EP | disclosed |
| US-20060116410-A1 | 4-Aminomethyl benzamidine derivatives | HOFFMANN-LA ROCHE INC. | 2006-06-01 | — | — | US | disclosed |
| WO-2006027135-A1 | 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-16 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060116410-A1 | 4-Aminomethyl benzamidine derivatives | F7, HABP2, F12 | CYP1A2 288/4885CYP2C19 107/4885CYP2D6 313/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.